SCHEMBL4169504

SCHEMBL4169504

O=C(NC1CCN(c2ccc(Cl)c(Cl)c2)CC1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.53
NOTUM Q6P988 6/20 0.51
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
RAB9A P51151 1/20 0.44
ADRB1 P08588 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6396760 0.81 NOTUM (0.48) NPY5RNOTUMMAPTSMN1; SMN2L3MBTL1
SCHEMBL4171141 0.81 CKS1B (0.48) NOTUMMAPTSMN1; SMN2LMNARAB9A
SCHEMBL2448926 0.81 GFER (0.45) NPY5RNOTUMMAPTL3MBTL1LMNA
SCHEMBL27655935 0.79 SUV39H2 (0.54) NPY5RNOTUMMAPTSMN1; SMN2RAB9A
SCHEMBL6183399 0.76 NOTUM (0.61) NPY5RNOTUM
SCHEMBL4171144 0.74 NPY5R (0.56) NPY5RNOTUMMAPTSMN1; SMN2RAB9A
SCHEMBL4167396 0.74 MAPT (0.56) NPY5RNOTUMMAPTSMN1; SMN2L3MBTL1
SCHEMBL2074272 0.73 NOTUM (0.83) NOTUMMAPTSMN1; SMN2L3MBTL1LMNA
Hydrochloric Acid SCHEMBL4185135 0.73 MAPT (0.54) NPY5RNOTUMMAPTSMN1; SMN2L3MBTL1
SCHEMBL6694923 0.72 NOTUM (0.58) NOTUMMAPTSMN1; SMN2L3MBTL1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124663-A1 Novel n-phenyl-piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2009-05-14 US disclosed
EP-1896415-A1 NOVEL N-PHENYL-PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2008-03-12 EP disclosed
WO-2006131524-A1 NOVEL N-PHENYL-PIPERIDINE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2006-12-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090124663-A1 Novel n-phenyl-piperidine derivatives and their use as monoamine neurotransmitter re-uptake inhibitors SLC18A2, SLC6A2, SLC18A3 NPY5R 186/4885NOTUM 640/4885MAPT 423/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.